Thomas A. Darden, Ph.D.
Affiliations: | National Institute of Environmental Health Sciences (NIEHS), Durham, NC, United States |
Area:
Statistics, Molecular DynamicsGoogle:
"Thomas A Darden"Bio:
Math tree: http://www.genealogy.math.ndsu.nodak.edu/id.php?id=34632
http://www.psc.edu/science/Darden/Darden.html#one
https://books.google.com/books?id=21lKAQAAMAAJ
Cross-listing: Chemistry Tree - Computational Biology Tree
Parents
Sign in to add mentor| Jerzy Neyman | grad student | 1979 | UC Berkeley | |
| (A Pseudo-Steady-State Approximation for Stochastic Chemical Kinetics) | ||||
Children
Sign in to add trainee| Celeste Sagui | post-doc | 1998-2000 | National Institute of Environmental Health Sciences (Chemistry Tree) |
| Jean-Philip Piquemal | post-doc | 2004-2006 | National Institute of Environmental Health Sciences |
| G. Andres Cisneros | post-doc | 2004-2009 | National Institute of Environmental Health Sciences (Chemistry Tree) |
Collaborators
Sign in to add collaborator| Lalith Perera | collaborator | (Chemistry Tree) | |
| Lee G. Pedersen | collaborator | 1985-2010 | NIEHS, NIH (Chemistry Tree) |
BETA: Related publications
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Publications
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| Gokcan H, Kratz EG, Darden TA, et al. (2018) QM/MM Simulations with the Gaussian Electrostatic Model, A Density-Based Polarizable Potential. The Journal of Physical Chemistry Letters |
| Chaudret R, Gresh N, Narth C, et al. (2014) S/G-1: an ab initio force-field blending frozen Hermite Gaussian densities and distributed multipoles. Proof of concept and first applications to metal cations. The Journal of Physical Chemistry. A. 118: 7598-612 |
| Elking DM, Perera L, Duke R, et al. (2011) A finite field method for calculating molecular polarizability tensors for arbitrary multipole rank. Journal of Computational Chemistry. 32: 3283-95 |
| Elking DM, Perera L, Duke R, et al. (2010) Atomic forces for geometry-dependent point multipole and gaussian multipole models. Journal of Computational Chemistry. 31: 2702-13 |
| Zurita A, Zhang Y, Pedersen L, et al. (2010) Obligatory role in GTP hydrolysis for the amide carbonyl oxygen of the Mg(2+)-coordinating Thr of regulatory GTPases. Proceedings of the National Academy of Sciences of the United States of America. 107: 9596-601 |
| de la Lande A, Maddaluno J, Parisel O, et al. (2010) Study of the docking of competitive inhibitors at a model of tyrosinase active site: insights from joint broken-symmetry/Spin-Flip DFT computations and ELF topological analysis. Interdisciplinary Sciences, Computational Life Sciences. 2: 3-11 |
| Elking DM, Cisneros GA, Piquemal JP, et al. (2010) Gaussian Multipole Model (GMM). Journal of Chemical Theory and Computation. 6: 190-202 |
| Cerutti DS, Duke RE, Darden TA, et al. (2009) Staggered Mesh Ewald: An extension of the Smooth Particle-Mesh Ewald method adding great versatility. Journal of Chemical Theory and Computation. 5: 2322 |
| Moradi M, Babin V, Roland C, et al. (2009) Conformations and free energy landscapes of polyproline peptides. Proceedings of the National Academy of Sciences of the United States of America. 106: 20746-51 |
| Hobbs CA, Deterding LJ, Perera L, et al. (2009) Structural characterization of the conformational change in calbindin-D28k upon calcium binding using differential surface modification analyzed by mass spectrometry. Biochemistry. 48: 8603-14 |